(2R)-2-amino-1-(4-hydroxy-4-methylpiperidin-1-yl)-2-phenylethanone

C14H20N2O2 — CID 81102948

IUPAC(2R)-2-amino-1-(4-hydroxy-4-methylpiperidin-1-yl)-2-phenylethanone
SMILESCC1(O)CCN(C(=O)[C@H](N)c2ccccc2)CC1
InChIInChI=1S/C14H20N2O2/c1-14(18)7-9-16(10-8-14)13(17)12(15)11-5-3-2-4-6-11/h2-6,12,18H,7-10,15H2,1H3/t12-/m1/s1
InChIKeyJKERHINWPGCQMP-GFCCVEGCSA-N
MW248.33 g/mol
LogP1.06
Rot. Bonds2

About (2R)-2-amino-1-(4-hydroxy-4-methylpiperidin-1-yl)-2-phenylethanone

(2R)-2-amino-1-(4-hydroxy-4-methylpiperidin-1-yl)-2-phenylethanone (PubChem CID 81102948) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is (2R)-2-amino-1-(4-hydroxy-4-methylpiperidin-1-yl)-2-phenylethanone.

Molecular Properties

Compound Name(2R)-2-amino-1-(4-hydroxy-4-methylpiperidin-1-yl)-2-phenylethanone
PubChem CID81102948
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name(2R)-2-amino-1-(4-hydroxy-4-methylpiperidin-1-yl)-2-phenylethanone
SMILESCC1(O)CCN(C(=O)[C@H](N)c2ccccc2)CC1
InChIInChI=1S/C14H20N2O2/c1-14(18)7-9-16(10-8-14)13(17)12(15)11-5-3-2-4-6-11/h2-6,12,18H,7-10,15H2,1H3/t12-/m1/s1
InChIKeyJKERHINWPGCQMP-GFCCVEGCSA-N
XLogP1.06
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-1-(4-hydroxy-4-methylpiperidin-1-yl)-2-phenylethanone?
The IUPAC name of (2R)-2-amino-1-(4-hydroxy-4-methylpiperidin-1-yl)-2-phenylethanone (CID 81102948) is (2R)-2-amino-1-(4-hydroxy-4-methylpiperidin-1-yl)-2-phenylethanone.
What is the SMILES notation for (2R)-2-amino-1-(4-hydroxy-4-methylpiperidin-1-yl)-2-phenylethanone?
The canonical SMILES for (2R)-2-amino-1-(4-hydroxy-4-methylpiperidin-1-yl)-2-phenylethanone is CC1(O)CCN(C(=O)[C@H](N)c2ccccc2)CC1.
What is the InChIKey of (2R)-2-amino-1-(4-hydroxy-4-methylpiperidin-1-yl)-2-phenylethanone?
The InChIKey is JKERHINWPGCQMP-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-14(18)7-9-16(10-8-14)13(17)12(15)11-5-3-2-4-6-11/h2-6,12,18H,7-10,15H2,1H3/t12-/m1/s1.
What are the key properties of (2R)-2-amino-1-(4-hydroxy-4-methylpiperidin-1-yl)-2-phenylethanone?
(2R)-2-amino-1-(4-hydroxy-4-methylpiperidin-1-yl)-2-phenylethanone has a molecular weight of 248.33 g/mol, XLogP of 1.06, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-1-(4-hydroxy-4-methylpiperidin-1-yl)-2-phenylethanone is sourced from PubChem (CID 81102948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).